18 Mar 2024
One of the neat things about the #openscience #cachechallenge is that industry participants (and high performers @merckgroup) can talk openly about their work and methods!
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7 Mar 2024
Hey #CACHEchallenge enthusiasts, after the symposium, take a look at some postmortem work out team @MolForecaster did, now updated on @ChemRxiv. Scroll to the “Two Years Later” section!
chemrxiv.org/engage/chemrxiv…
#openscience #CADD
cc: @consciencemeds @thesgconline
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12 Feb 2024
Congratulations to the CMU-UBC team for their top-notch work in our first #CACHEChallenge!
You can hear from @olexandr himself about their methods at the #CACHESymposium, March 6-7 in Toronto.
Register here: eventbrite.ca/e/cache-challe…
12 Feb 2024
Little write-up for our CMU-UBC team competing (and winning 🏆 ) for CACHE #1 challenge! Finding small molecule hits with #compchem methods for a challenging LRRK2 WDR domain. #drugdiscovery
cmu.edu/mcs/news-events/2024…
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7 Feb 2024
The pharmaceutical industry has to be up to date on the state of the art in #AI and #DrugDesign
Benchmarking is crucial, but sound systematic comparison of methods is missing
At the #CACHESymposium you can hear from industry experts how each #CACHEChallenge fills that gap
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Big shoutout to the SGC @UofT team for screening 1739 compounds. As CACHE's experimental arm, we're sharing all binders, screening data, and structures of experimentally tested compounds openly, free from IP restrictions.
#OpenScience #DrugDiscovery #CACHEChallenge #SARSCoV2
24 Jan 2024
Experimental testing of 1739 compounds predicted by 23 CACHE #3 participants to bind the Macro domain of SARS-CoV-2 NSP3 is out. 28 compounds selected by 9 participants were confirmed and advanced to the hit-expansion round. bit.ly/3vLxyKN #compchem @thesgconline
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24 Jan 2024
More coverage of the results from #CACHEChallenge 1, released last week.
cen.acs.org/pharmaceuticals/…
This one with some great quotes from @olexandr, who teamed up with @MKCMU and Artem Cherkasov at @VanProstateCtr to submit one of the top-scoring predictions.
He's also speaking 👇
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20 Dec 2023
#CACHEChallenge 第５シーズンが来た。
標的は Melanin-concentrating hormone receptor 1 (MCHR1)、既にリガンドは複数知られているが実測構造は解かれていない GPCR。中枢神経系の一次繊毛に発現しており摂食や情動などに寄与しているらしい。
The new #CACHEChallenge has officially been released. Computational chemists, #AI-savvy scientists from academia, biotech, and pharma take advantage of this chance and apply today if you think you can predict novel antagonists for MCHR1!
cache-challenge.org/challeng…
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20 Dec 2023
#CACHEChallenge 5 is now live!
Predict antagonists for the MCHR1 protein.
No protein structure known for MCHR1, only ligands, so participants will really have to put their algorithms to the test.
Find out more and apply: cache-challenge.org/challeng…
#DrugDiscovery #AI #OpenScience
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The new #CACHEChallenge has officially been released. Computational chemists, #AI-savvy scientists from academia, biotech, and pharma take advantage of this chance and apply today if you think you can predict novel antagonists for MCHR1!
cache-challenge.org/challeng…
20 Dec 2023
Announcing the 5th CACHE challenge. Predict novel antagonists for MCHR1, a GPCR with no structure in the PDB but hundreds of known ligands... Compounds will be tested in Bryan Roth @zenbrainest lab at UNC and results published. Apply by Feb 14th. bit.ly/484U7Zi #compchem
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Don't miss out! CACHE will reveal the most efficient computational method for hit-finding and guide future technological improvement. Complete your application today and join the challenge!
cache-challenge.org/applicat…
#cachechallenge #openscience #computationalmethod #target2035
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29 Mar 2023
[#RESEARCH] #ICYMI: the prediction submission deadline for the third #CACHEChallenge was last week. This Challenge, organized by @thesgconline, focused on the macrodomain of SARS-CoV-2 #NSP3.
#compchem #drugdiscovery
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24 Mar 2023
Great to finally see our paper out @ShubhangiKandw1. Grateful to @IrishResearch for PhD Scholarship funding. @TCDFacultySTEM @tcddublin #LoveIrishResearch #CACHEChallenge doi.org/10.1016/j.virol.2023…
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Join the #CACHEChallenge #4 today to predict compounds that bind to the closed conformation of the CBLB TKB domain! Computational chemists, #AI-savvy scientists from academia, biotech, and pharma don't miss this chance and apply today! bit.ly/3JFl7ou
@Target2035
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13 Mar 2023
(1/4) Our team was delighted with the opportunity to participate in the 2nd #CACHEChallenge (Critical Assessment of Computational Hit finding Experiments), hosted by @thesgconline.
#compchem #drugdiscovery
chemrxiv.org/engage/chemrxiv…
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10 Mar 2023
活性実測付きの創薬コンペ #CACHEChallenge、第４回がローンチ。今回の標的は E3 ligase の一種 Cbl-b (Casitus B-lineage lymphoma-b) のチロシンキナーゼ結合ドメイン。TPD 目的というかこれ自体が oncogene のようだ。
予告通り、今回から参加費がかかるようになっている。
cache-challenge.org/challeng…
In these #20yearsSGC we have been lucky to see #CACHE grow and succeed! With 3 challenges already on the way, 43 #compchem and AI scientists from across the globe predicted more than 6,000 #opensource drug compounds for neurological and viral diseases. cache-challenge.org/
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14 Feb 2023
Drugit has entered round 3 of the CACHE Challenge! To learn more go to drugit.org #CitizenScience #drugdiscovery #gaming
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Join #CACHEChallenge #3 and predict ligands for the macrodomain of SARS-CoV-2 Nsp3, a target with dozens of fragments and inhibitors in the PDB. Get your application in by January 1st 2023. Read more and apply here: bitly.ws/wfZv
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1 Dec 2022
Last week was the deadline to submit predictions for the second #CACHEchallenge organized by @thesgconline targeting the RNA binding site of SARS-CoV-2 NSP13. We sent our list of 150 hit candidates from @EnamineLtd libraries and look forward to the next steps.
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What are you waiting for? Join the #CACHEChallenge #3 today to predict molecules targeting the MACRO domain of SARS-CoV-2 Nsp3! Computational chemists, #AI-savvy scientists from academia, biotech, and pharma need to apply today! bitly.ws/wfZv
@Target2035 @thesgconline
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